3-[[(E)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Formula:C23H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	3-[[(E)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H14N4O8
Smiles	N#C/C(/C(Nc1cc(C(O)=O)ccc1)=O)=C\c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C23H14N4O8/c24-13-16(22(28)25-17-3-1-2-15(11-17)23(29)30)10-14-4-7-19(8-5-14)35-21-9-6-18(26(31)32)12-20(21)27(33)34/h1-12H,(H,25,28)(H,29,30)
InChIK	TZWVAUDIDANCPL-UHFFFAOYSA-N
TotalMolweight	474.384
Molweight	474.384
MonoisotopicMass	474.081166
CLogP	2.0258
CLogS	-7
H Acceptors	12
H Donors	2
TotalSurfaceArea	349.85
Relative PSA	0.38599
PolarSurfaceArea	191.06
Druglikeness	-6.8776
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	3
StereoCon

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